Information card for entry 7000252

Structure parameters

• Common name: Chisholm 1614
• Formula: C27 H49 B N6 O4 Si Zn
• Calculated formula: C27 H49 B N6 O4 Si Zn
• SMILES: O([Si](C)(C)C)[Zn]12[n]3c(ccn3[BH](n3ccc(C(C)(C)COC)[n]13)n1ccc(C(C)(C)COC)[n]21)C(C)(C)COC
• Title of publication: Synthesis and coordination chemistry of TpC*MI complexes where M = Mg, Ca, Sr, Ba and Zn and TpC* = tris[3-(2-methoxy-1,1-dimethyl)pyrazolyl]hydroborate
• Authors of publication: Chisholm, Malcolm H.; Gallucci, Judith C.; Yaman, Gulsah
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 2
• Pages of publication: 368 - 374
• a: 16.0519 ± 0.0004 Å
• b: 16.0519 ± 0.0004 Å
• c: 11.0188 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2458.77 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No